SCHEMBL2321702

SCHEMBL2321702

CCCCOP(=O)([O-])OCCCC.CCc1[nH]cc[n+]1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.39
AKT1 P31749 2/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AGTR1 P30556 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.36
TERT O14746 1/20 0.32
UCHL3 P15374 1/20 0.32
MAPK14 Q16539 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3470365 0.90 CDC25A (0.38) CDC25AAKT1LMNAESR1ADORA3
Diethyl Hydrogen Phosphate SCHEMBL693771 0.85
Phosphoric Acid SCHEMBL4397366 0.85
Diethyl Hydrogen Phosphate SCHEMBL6005556 0.81 LMNA (0.31) CDC25AAKT1LMNAESR1ADORA3
SCHEMBL4536064 0.80
Phosphoric Acid Monomethyl Ester SCHEMBL4537990 0.79
SCHEMBL3471862 0.78 CDC25A (0.38) CDC25AAKT1LMNAESR1ADORA3
SCHEMBL19463 0.78 RECQL (0.45)
SCHEMBL3474149 0.77 CDC25A (0.37) CDC25AAKT1LMNAESR1ADORA3
Phosphoric Acid SCHEMBL30381493 0.77 GGPS1 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011092713-A2 AN ELECTRICALLY CONDUCTIVE COATING FOR SPOT WELDING APPLICATIONS ADITYA BIRLA SCIENCE AND TECHNOLOGY COMPANY LIMITED (IN) 2011-08-04 WO claimed
US-20240279690-A1 PROCESS FOR FRACTIONATION OF PHOTOSYNTHETIC BIOMASS AND RELATED SYSTEMS AND METHODS FILAMENT BIOSCIENCES, LLC 2024-08-22 US disclosed
EP-3200804-A1 POLYSACCHARIDE AND NUCLEIC ACID FORMULATIONS CONTAINING VISCOSITY-LOWERING AGENTS Eagle Biologics, Inc. (US) 2017-08-09 EP disclosed
WO-2016054259-A1 POLYSACCHARIDE AND NUCLEIC ACID FORMULATIONS CONTAINING VISCOSITY-LOWERING AGENTS Arsia Therapeutics, Inc. (US) 2016-04-07 WO disclosed
WO-2012078783-A2 IMMOBILIZATION OF IONIC LIQUIDS VIA MECHNOCHEMICAL INTERCALATION IN LAYERED MATERIALS TEXAS STATE UNIVERSITY-SAN MARCOS (US) 2012-06-14 WO disclosed
WO-2011092713-A2 AN ELECTRICALLY CONDUCTIVE COATING FOR SPOT WELDING APPLICATIONS ADITYA BIRLA SCIENCE AND TECHNOLOGY COMPANY LIMITED (IN) 2011-08-04 WO disclosed